Bulletin of the American Physical Society

APS March Meeting 2021

Volume 66, Number 1

Monday–Friday, March 15–19, 2021; Virtual; Time Zone: Central Daylight Time, USA

Session Index

Session P22: Emerging Trends in MD Simulations and Machine Learning V

Focus Live

Show Abstracts

Sponsoring Units: DCOMP GDS DSOFT DPOLY
Chair: Tao Wei, Howard University

Wednesday, March 17, 2021 3:00PM - 3:36PM Live		P22.00001: The Self Learning Kinetic Monte Carlo (SLKMC) method augmented with data analytics for adatom-island diffusion on surfaces Invited Speaker: Talat Rahman
Wednesday, March 17, 2021 3:36PM - 3:48PM Live		P22.00002: Multiscale reweighted stochastic embedding (MRSE): Deep learning of collective variables for enhanced sampling Jakub Rydzewski, Omar Valsson
Wednesday, March 17, 2021 3:48PM - 4:00PM Live		P22.00003: Finite Electron Temperature Density Functional Theory and Neural Network Molecular Dynamics study of Sub Pico-Second Optical Control of Ferroelectric Domains in PbTiO₃ based Nanostructuress Thomas Linker, Rajiv K Kalia, Aiichiro Nakano, Ken-ichi Nomura, Fuyuki Shimojo, Priya Vashishta
Wednesday, March 17, 2021 4:00PM - 4:12PM Live		P22.00004: A unified Bayesian approach to learning many-body potentials Jonathan Vandermause, Boris Kozinsky
Wednesday, March 17, 2021 4:12PM - 4:24PM Live		P22.00005: Optimizing Free Energy Estimation with Machine Learning Peter Wirnsberger, Andrew Ballard, George Papamakarios, Stuart Abercrombie, Sébastien Racanière, Alexander Pritzel, Danilo Jimenez Rezende, Charles Blundell
Wednesday, March 17, 2021 4:24PM - 4:36PM Live		P22.00006: Insights on Bimetallic Surface Dynamics via Automatically Trained Gaussian Process Machine Learning Potentials Steven Torrisi, Jin Soo Lim, Lixin Sun, Yu Xie, Jonathan Vandermause, Boris Kozinsky
Wednesday, March 17, 2021 4:36PM - 4:48PM Live		P22.00007: Quantum Monte Carlo of cohesion and excitations in diamond Si: benchmarks Abdulgani Annaberdiyev, Guangming Wang, Lubos Mitas
Wednesday, March 17, 2021 4:48PM - 5:00PM Live		P22.00008: Dynamically consistent coarse-grained models of chemically specific polymer melts via friction parameterization Lilian Johnson, Frederick Phelan
Wednesday, March 17, 2021 5:00PM - 5:12PM Live		P22.00009: Exploring, fitting, and characterizing the configuration space of materials with multiscale universal descriptors Noam Bernstein, Tamas Stenczel, Gabor Csanyi
Wednesday, March 17, 2021 5:12PM - 5:24PM Live		P22.00010: Investigation of global charge distributions for constructing non-local machine learning potentials Tsz Wai Ko, Jonas Finkler, Stefan A Goedecker, Jorg Behler
Wednesday, March 17, 2021 5:24PM - 5:36PM Live		P22.00011: Optimization of the diffusion Monte Carlo nodal surface John McFarland, Efstratios Manousakis
Wednesday, March 17, 2021 5:36PM - 5:48PM On Demand		P22.00012: Orbital optimization in quantum Monte Carlo applied on solids Ye Luo

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Bulletin of the American Physical Society

APS March Meeting 2021

Volume 66, Number 1

Monday–Friday, March 15–19, 2021; Virtual; Time Zone: Central Daylight Time, USA

Session Index

Session P22: Emerging Trends in MD Simulations and Machine Learning V

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